Geometry & MOs

Info

ID:	17349
PubChem CID:	493797
Reduced:	NO9H19C21 (1)
Stoich.:	AB9C19D21 (1)
Weight, g/mol:	429.105981
ΔH_f, kcal/mol:	-311.12
Dipole, Da:	7.69
IP(EA), eV:	-9.14(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[3-(3,4-dihydroxyphenyl)prop-2-enoylamino]-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C=CC(=O)N[C@@H](COC(=O)C=CC2=CC(=C(C=C2)O)O)C(=O)O)O)O

DOS

IR

Vibrations